MMsINC Database Search


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MMsINC code: MMs00059804

Type: Neutral
Formula: C₁₈H₁₅FN₂O₂S

SMILES:

S(=O)(=O)(N(Cc1ccccc1)c1ncccc1)c1ccc(F)cc1

InChI:

InChI=1/C18H15FN2O2S/c19-16-9-11-17(12-10-16)24(22,23)21(18-8-4-5-13-20-18)14-15-6-2-1-3-7-15/h1-13H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.3366 kcal/mol

Physical Properties
Molecular Weight: 342.394 g/mol	logS: -4.2383	SlogP: 3.8826	Reactive groups: 0

Topological Properties
Globularity: 0.101094	Sterimol/B1: 3.17244	Sterimol/B2: 3.6251	Sterimol/B3: 3.85064
Sterimol/B4: 7.66392	Sterimol/L: 15.2533

Surface and Volume Properties
Accessible surface: 533.838	Positive charged surface: 279.709	Negative charged surface: 254.13	Volume: 304.25
Hydrophobic surface: 477.609	Hydrophilic surface: 56.229

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.